| SpectraBase Compound ID | 9X4TIGKL6gQ |
|---|---|
| InChI | InChI=1S/C11H19NO5/c1-4-5-8-17-10(14)11(3,12(15)16)7-6-9(2)13/h4-8H2,1-3H3 |
| InChIKey | AJMWLKUSOAOEBI-UHFFFAOYSA-N |
| Mol Weight | 245.27 g/mol |
| Molecular Formula | C11H19NO5 |
| Exact Mass | 245.126323 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JGlC7vg2SNg |
|---|---|
| Name | Butyl 2-methyl-2-nitro-5-oxohexanoate |
| CAS Registry Number | 113747-76-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H19NO5 |
| InChI | InChI=1S/C11H19NO5/c1-4-5-8-17-10(14)11(3,12(15)16)7-6-9(2)13/h4-8H2,1-3H3 |
| InChIKey | AJMWLKUSOAOEBI-UHFFFAOYSA-N |
| Molecular Weight | 245.275 g/mol |
| SMILES | C(N(=O)=O)(C(=O)OCCCC)(CCC(=O)C)C |
| SPLASH | splash10-00dj-9300000000-7c860d041cae4ed03b77 |
| Source of Spectrum | J-53-2326-2 |
| Wiley ID | 1247833 |